N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitro-benzamide Openeye Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-methyl-1-piperidyl)-5-nitro-benzamide CAS Name: N-[3-chloro-4-[4-(3-methyl-1-oxobutyl)-1-piperazinyl]phenyl]-2-(4-methyl-1-piperidinyl)-5-nitrobenzamide IUPAC Name: N-[3-chloro-4-[4-(3-methylbutanoyl)piperazin-1-yl]phenyl]-2-(4-methylpiperidin-1-yl)-5-nitrobenzamide Traditional Name: N-[3-chloro-4-(4-isovalerylpiperazino)phenyl]-2-(4-methylpiperidino)-5-nitro-benzamide Formula: C28H36ClN5O4 MolecularWeight: 542.06954

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)CC(C)C)Cl

Isomeric SMILES

CC1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)N4CCN(CC4)C(=O)CC(C)C)Cl

InChI

InChI=1S/C28H36ClN5O4/c1-19(2)16-27(35)33-14-12-32(13-15-33)26-6-4-21(17-24(26)29)30-28(36)23-18-22(34(37)38)5-7-25(23)31-10-8-20(3)9-11-31/h4-7,17-20H,8-16H2,1-3H3,(H,30,36)